2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide

C23H25Cl2N3O — CID 11048260

IUPAC2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cn(-c2ccc(C(C)(C)C)cc2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H25Cl2N3O/c1-23(2,3)17-7-9-18(10-8-17)28-14-16(13-21(29)27(4)5)22(26-28)15-6-11-19(24)20(25)12-15/h6-12,14H,13H2,1-5H3
InChIKeyQVUPATHZRPATDU-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.77
Rot. Bonds4

About 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide

2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide (PubChem CID 11048260) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide
PubChem CID11048260
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC Name2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cn(-c2ccc(C(C)(C)C)cc2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H25Cl2N3O/c1-23(2,3)17-7-9-18(10-8-17)28-14-16(13-21(29)27(4)5)22(26-28)15-6-11-19(24)20(25)12-15/h6-12,14H,13H2,1-5H3
InChIKeyQVUPATHZRPATDU-UHFFFAOYSA-N
XLogP5.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide
CID 10872782
N,N-dimethyl-2-[3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 11784017
2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide
CID 11081267
2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide
CID 11827067
2-[3-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
CID 10982289
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide
CID 11132930
[2-[4-[2-(dimethylamino)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-9H-fluoren-9-yl] acetate
CID 10951429
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
(1,3-diphenylpyrazol-4-yl)methyl 4-tert-butylbenzoate
CID 2119337
CID 67048003
CID 67048003

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide (CID 11048260) is 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1cn(-c2ccc(C(C)(C)C)cc2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide?
The InChIKey is QVUPATHZRPATDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O/c1-23(2,3)17-7-9-18(10-8-17)28-14-16(13-21(29)27(4)5)22(26-28)15-6-11-19(24)20(25)12-15/h6-12,14H,13H2,1-5H3.
What are the key properties of 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide?
2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide has a molecular weight of 430.38 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 11048260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).